N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride

C17H26ClN3O2 — CID 119671636

IUPACN-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(=O)Nc1cccc(NC(=O)CC(C)C2CCCNC2)c1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-12(14-5-4-8-18-11-14)9-17(22)20-16-7-3-6-15(10-16)19-13(2)21;/h3,6-7,10,12,14,18H,4-5,8-9,11H2,1-2H3,(H,19,21)(H,20,22);1H
InChIKeyQICWHEFPQFNZFS-UHFFFAOYSA-N
MW339.87 g/mol
LogP3.03
Rot. Bonds5

About N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride

N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119671636) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119671636
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC NameN-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(=O)Nc1cccc(NC(=O)CC(C)C2CCCNC2)c1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-12(14-5-4-8-18-11-14)9-17(22)20-16-7-3-6-15(10-16)19-13(2)21;/h3,6-7,10,12,14,18H,4-5,8-9,11H2,1-2H3,(H,19,21)(H,20,22);1H
InChIKeyQICWHEFPQFNZFS-UHFFFAOYSA-N
XLogP3.03
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671066
N-[3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide
CID 119710473
N-(3-methylsulfinylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119743910
N-(3-methylsulfinylphenyl)-3-piperidin-3-ylbutanamide
CID 119743911
3-(3-piperidin-3-ylbutanoylamino)benzamide
CID 81049250
3-piperidin-3-yl-N-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119671265
N-(3-methylsulfonylphenyl)-3-piperidin-3-ylbutanamide
CID 119694301
N-(3-acetamidophenyl)-3-piperidin-4-ylbutanamide
CID 119671646
N-[3-(2-methylpropoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119714898
N-(5-acetamido-2-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705041
3-(3-piperidin-3-ylbutanoylamino)-N-pyridin-4-ylbenzamide;dihydrochloride
CID 119870552
3-piperidin-3-yl-N-(3-pyridin-4-yloxyphenyl)butanamide;dihydrochloride
CID 119886951

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride (CID 119671636) is N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride is CC(=O)Nc1cccc(NC(=O)CC(C)C2CCCNC2)c1.Cl.
What is the InChIKey of N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is QICWHEFPQFNZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2.ClH/c1-12(14-5-4-8-18-11-14)9-17(22)20-16-7-3-6-15(10-16)19-13(2)21;/h3,6-7,10,12,14,18H,4-5,8-9,11H2,1-2H3,(H,19,21)(H,20,22);1H.
What are the key properties of N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride?
N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 3.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119671636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).